ethyl 4-azanyl-2-[[4-(dimethylamino)-3-nitro-phenyl]carbonyloxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[[4-(dimethylamino)-3-nitro-phenyl]carbonyloxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[[4-(dimethylamino)-3-nitro-benzoyl]oxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[[4-(dimethylamino)-3-nitrophenyl]-oxomethoxy]methyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[4-(dimethylamino)-3-nitrobenzoyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[4-(dimethylamino)-3-nitro-benzoyl]oxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H21N5O7 MolecularWeight: 443.41004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N5O7/c1-5-30-20(27)15-10(2)32-18-16(15)17(21)22-14(23-18)9-31-19(26)11-6-7-12(24(3)4)13(8-11)25(28)29/h6-8H,5,9H2,1-4H3,(H2,21,22,23)